[(E)-2-hydroxy-2-methoxyethenyl]-dimethylsulfanium

C5H11O2S+ — CID 131875419

IUPAC[(E)-2-hydroxy-2-methoxyethenyl]-dimethylsulfanium
SMILESCO/C(O)=C/[S+](C)C
InChIInChI=1S/C5H10O2S/c1-7-5(6)4-8(2)3/h4H,1-3H3/p+1/b5-4+
InChIKeyYUGSXKHBOJAXSL-SNAWJCMRSA-O
MW135.21 g/mol
LogP0.87
Rot. Bonds2

About [(E)-2-hydroxy-2-methoxyethenyl]-dimethylsulfanium

[(E)-2-hydroxy-2-methoxyethenyl]-dimethylsulfanium (PubChem CID 131875419) has the molecular formula C5H11O2S+ and a molecular weight of 135.21 g/mol. Its IUPAC name is [(E)-2-hydroxy-2-methoxyethenyl]-dimethylsulfanium.

Molecular Properties

Compound Name[(E)-2-hydroxy-2-methoxyethenyl]-dimethylsulfanium
PubChem CID131875419
Molecular FormulaC5H11O2S+
Molecular Weight135.21 g/mol
Exact Mass135.05
IUPAC Name[(E)-2-hydroxy-2-methoxyethenyl]-dimethylsulfanium
SMILESCO/C(O)=C/[S+](C)C
InChIInChI=1S/C5H10O2S/c1-7-5(6)4-8(2)3/h4H,1-3H3/p+1/b5-4+
InChIKeyYUGSXKHBOJAXSL-SNAWJCMRSA-O
XLogP0.87
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

Analyze [(E)-2-hydroxy-2-methoxyethenyl]-dimethylsulfanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-ethoxy-2-hydroxyethenyl)-dimethylsulfanium
CID 76822814
(1E)-1-methoxy-3-methylbuta-1,3-dien-1-ol
CID 134856405
methyl 3-hydroxy-3-methoxyprop-2-enoate
CID 610944
1-methoxyhept-1-en-1-ol
CID 123724629
hydroperoxymethane;nickel
CID 59168075
[(Z)-2-hydroxy-4-methoxy-4-oxobut-2-enyl]-dimethylsulfanium
CID 177456693
(E)-1-methoxy-2-(2-methylphenyl)ethenol
CID 135049956
carbonic acid;methyl hydrogen carbonate
CID 175554276
tributyl-[(E)-3-hydroxy-3-methoxyprop-2-enyl]phosphanium
CID 162403304
methyl (2E)-3,4-dimethylpenta-2,4-dienoate
CID 12685430
potassium;hydride;hydroperoxymethane
CID 175462992
sodium;hydride;hydroperoxymethane
CID 173432395

Frequently Asked Questions

What is the IUPAC name of [(E)-2-hydroxy-2-methoxyethenyl]-dimethylsulfanium?
The IUPAC name of [(E)-2-hydroxy-2-methoxyethenyl]-dimethylsulfanium (CID 131875419) is [(E)-2-hydroxy-2-methoxyethenyl]-dimethylsulfanium.
What is the SMILES notation for [(E)-2-hydroxy-2-methoxyethenyl]-dimethylsulfanium?
The canonical SMILES for [(E)-2-hydroxy-2-methoxyethenyl]-dimethylsulfanium is CO/C(O)=C/[S+](C)C.
What is the InChIKey of [(E)-2-hydroxy-2-methoxyethenyl]-dimethylsulfanium?
The InChIKey is YUGSXKHBOJAXSL-SNAWJCMRSA-O. The full InChI is InChI=1S/C5H10O2S/c1-7-5(6)4-8(2)3/h4H,1-3H3/p+1/b5-4+.
What are the key properties of [(E)-2-hydroxy-2-methoxyethenyl]-dimethylsulfanium?
[(E)-2-hydroxy-2-methoxyethenyl]-dimethylsulfanium has a molecular weight of 135.21 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-hydroxy-2-methoxyethenyl]-dimethylsulfanium is sourced from PubChem (CID 131875419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).